1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-ethyl-piperazine-1,4-diium Formula: C15H24N2O2+2 MolecularWeight: 264.36326

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2COC3=CC=CC=C3O2

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)C[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C15H22N2O2/c1-2-16-7-9-17(10-8-16)11-13-12-18-14-5-3-4-6-15(14)19-13/h3-6,13H,2,7-12H2,1H3/p+2/t13-/m0/s1